4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C56H54O7 — CID 160883594

IUPAC4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C29H28O3.C15H16O2.C12H10O2/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h4-19,30-32H,1-3H3;3-10,16-17H,1-2H3;1-8,13-14H
InChIKeySNIOXPHIDOFSEQ-UHFFFAOYSA-N
MW839.04 g/mol
LogP12.67
Rot. Bonds8

About 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 160883594) has the molecular formula C56H54O7 and a molecular weight of 839.04 g/mol. Its IUPAC name is 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID160883594
Molecular FormulaC56H54O7
Molecular Weight839.04 g/mol
Exact Mass838.39
IUPAC Name4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C29H28O3.C15H16O2.C12H10O2/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h4-19,30-32H,1-3H3;3-10,16-17H,1-2H3;1-8,13-14H
InChIKeySNIOXPHIDOFSEQ-UHFFFAOYSA-N
XLogP12.67
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500839.04
LogP ≤ 512.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Bisphenol A
CID 6623
Hexestrol
CID 192197
Bisphenol B
CID 66166
4-Cumylphenol
CID 11742
9,9-Bis(4-hydroxyphenyl)fluorene
CID 76716
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene
CID 83494
1,1-Bis(4-hydroxyphenyl)cyclohexane
CID 232446
1,1,1-Tris(4-hydroxyphenyl)ethane
CID 93118
2,4-Dicumylphenol
CID 76013
9-Hydroxybenzo(a)pyrene
CID 28598
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
CID 74370
4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
CID 92905

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 160883594) is 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is SNIOXPHIDOFSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O3.C15H16O2.C12H10O2/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h4-19,30-32H,1-3H3;3-10,16-17H,1-2H3;1-8,13-14H.
What are the key properties of 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 839.04 g/mol, XLogP of 12.67, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 160883594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).